1-(5-Bromo-2-methylsulfanylphenyl)ethanone

Base Information

• Chemical Name: 1-(5-Bromo-2-methylsulfanylphenyl)ethanone
• CAS No.: 256950-31-9
• Molecular Formula: C9H9BrOS
• Molecular Weight: 245.14
• European Community (EC) Number: 891-980-6
• Mol file: 256950-31-9.mol

Synonyms:256950-31-9;SCHEMBL7493646;AKOS021291218;1-(5-Bromo-2-(methylthio)phenyl)ethan-1-one

Chemical Property of 1-(5-Bromo-2-methylsulfanylphenyl)ethanone

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.95575
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)Br)SC

Technology Process of 1-(5-Bromo-2-methylsulfanylphenyl)ethanone

There total 2 articles about 1-(5-Bromo-2-methylsulfanylphenyl)ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 64.0%

5-bromo-2-(methylthio)benzoic acid (62176-40-3) + methyllithium (917-54-4) → 1-[5-bromo-2-(methylthio)phenyl]ethanone (256950-31-9)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 ℃; for 2h;

DOI:10.1021/jm010982y

Reference yield: 64.0%

→ 1-[5-bromo-2-(methylthio)phenyl]ethanone (256950-31-9)

Guidance literature:

Reference yield: 72.0%

1-[5-bromo-2-(methylthio)phenyl]ethanone (256950-31-9) → 2-bromo-1-[5-bromo-2-(methylthio)phenyl]ethanone (256950-32-0)

Guidance literature:

With bromine; acetic acid; In tetrachloromethane; at 20 ℃; for 16h;

DOI:10.1021/jm010982y

upstream raw materials:

5-bromo-2-(methylthio)benzoic acid

methyllithium

Downstream raw materials:

2-bromo-1-[5-bromo-2-(methylthio)phenyl]ethanone